| CAS Number | 2031269-33-5 |
| Catalog Number | AG01BUYH |
| Chemical Name | 1-(cyclopropylmethyl)-2-ethyl-1H-imidazole-5-sulfonyl chloride |
| IUPAC Name | 3-(cyclopropylmethyl)-2-ethylimidazole-4-sulfonyl chloride |
| InChI | InChI=1S/C9H13ClN2O2S/c1-2-8-11-5-9(15(10,13)14)12(8)6-7-3-4-7/h5,7H,2-4,6H2,1H3 |
| InChI Key | QIVGOKVIYLZKMO-UHFFFAOYSA-N |
| MDL Number | MFCD30345321 |
| Molecular Formula | C9H13ClN2O2S |
| Molecular Weight | 248.7297 |
| SMILES | CCC1N(CC2CC2)C(S(Cl)(=O)=O)=CN=1 |
| Synonyms | 1-(cyclopropylmethyl)-2-ethyl-1H-imidazole-5-sulfonyl chloride,
2031269-33-5,
ZINC521399622,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.725g/mol |
| Monoisotopic Mass | 248.039g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 60.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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